# generated using pymatgen data_Ba2MgCuNi2F14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25705742 _cell_length_b 7.34289619 _cell_length_c 14.55119337 _cell_angle_alpha 91.58988940 _cell_angle_beta 90.18025491 _cell_angle_gamma 110.23229037 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2MgCuNi2F14 _chemical_formula_sum 'Ba4 Mg2 Cu2 Ni4 F28' _cell_volume 526.79584416 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.11962300 0.37640700 0.62856600 1.0 Ba Ba1 1 0.25259400 0.37706400 0.12005100 1.0 Ba Ba2 1 0.87789500 0.62241400 0.37686100 1.0 Ba Ba3 1 0.74558500 0.61843700 0.87387900 1.0 Mg Mg4 1 0.43255900 0.01773500 0.75385200 1.0 Mg Mg5 1 0.57091200 0.00034300 0.25073400 1.0 Cu Cu6 1 0.49876900 0.00499200 0.99973600 1.0 Cu Cu7 1 0.49917800 0.00008900 0.50014000 1.0 Ni Ni8 1 0.09997500 0.23137600 0.87266000 1.0 Ni Ni9 1 0.89834900 0.76825100 0.12667500 1.0 Ni Ni10 1 0.13456000 0.23490100 0.37265600 1.0 Ni Ni11 1 0.86463500 0.76598200 0.62751900 1.0 F F12 1 0.89983600 0.98693900 0.33888100 1.0 F F13 1 0.86306200 0.26648700 0.45441700 1.0 F F14 1 0.13772000 0.73516700 0.54397900 1.0 F F15 1 0.66449800 0.50767600 0.59370400 1.0 F F16 1 0.60259200 0.10103800 0.62206500 1.0 F F17 1 0.50526000 0.90062500 0.87758500 1.0 F F18 1 0.40544400 0.24587100 0.95968500 1.0 F F19 1 0.91651100 0.01625000 0.16182800 1.0 F F20 1 0.38003100 0.31658800 0.77158800 1.0 F F21 1 0.33623300 0.49523000 0.40175800 1.0 F F22 1 0.80586600 0.22300300 0.78697100 1.0 F F23 1 0.17065900 0.49854800 0.90845600 1.0 F F24 1 0.40994900 0.22215300 0.29033400 1.0 F F25 1 0.18426900 0.77708400 0.20930400 1.0 F F26 1 0.49880800 0.10022800 0.12571700 1.0 F F27 1 0.63037800 0.68534500 0.22374400 1.0 F F28 1 0.13015300 0.84027300 0.01902200 1.0 F F29 1 0.10173800 0.01257400 0.65856100 1.0 F F30 1 0.86891400 0.15969800 0.98711200 1.0 F F31 1 0.71301600 0.83907900 0.51498100 1.0 F F32 1 0.59901900 0.74381700 0.04409500 1.0 F F33 1 0.59031300 0.77772600 0.70861600 1.0 F F34 1 0.94874000 0.31871700 0.27465700 1.0 F F35 1 0.28795100 0.16382400 0.48332600 1.0 F F36 1 0.39739500 0.90013400 0.37602300 1.0 F F37 1 0.08727700 0.97641300 0.83616300 1.0 F F38 1 0.04757000 0.67666500 0.72333500 1.0 F F39 1 0.83504800 0.50782900 0.09560900 1.0